chempirical

Benzenesulfenyl chloride

C6H5ClSCAS 931-59-9144.62 g/mol

Open in Covalent MOL file
ClS

Properties

Molecular formula
C6H5ClS
Molar mass
144.62 g/mol
Exact mass
143.9800 Da
Density
1.255 g/mL (at 20 °C)
Boiling point
73–75 °C (at 9 Torr)
logP
2.93Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
931-59-9
SMILES
ClSc1ccccc1
InChIKey
JWUKZUIGOJBEPC-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClS/c7-8-6-4-2-1-3-5-6/h1-5H

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

6 names
  • Benzene, (chlorothio)-
  • Phenyl chloro sulfide
  • Phenylsulfenyl chloride
  • Phenylsulphenyl chloride
  • (Chlorothio)benzene
  • (Chlorosulfanyl)benzene

Work with Benzenesulfenyl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diphenyl disulfide882-33-750 % similar [(Chloromethyl)thio]benzene7205-91-643 % similar Thioanisole100-68-543 % similar 1,1′-[Methylenebis(thio)]bis[benzene]3561-67-943 % similar 1,2-Bis(phenylthio)ethane622-20-843 % similar 2-Chloroethyl phenyl sulfide5535-49-940 % similar Methyl phenyl disulfide14173-25-239 % similar [(Trimethylsilyl)thio]benzene4551-15-938 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Chlorobenzenethiol106-54-7 3-Chlorothiophenol2037-31-2 2-Chlorobenzenethiol6320-03-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook